pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone

C20H19N3O — CID 110258714

IUPACpyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H19N3O/c24-20(18-4-1-8-21-13-18)23-10-7-16(14-23)11-15-5-6-19-17(12-15)3-2-9-22-19/h1-6,8-9,12-13,16H,7,10-11,14H2
InChIKeyHPSHAJNROYSAJB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.33
Rot. Bonds3

About pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone

pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 110258714) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID110258714
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namepyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H19N3O/c24-20(18-4-1-8-21-13-18)23-10-7-16(14-23)11-15-5-6-19-17(12-15)3-2-9-22-19/h1-6,8-9,12-13,16H,7,10-11,14H2
InChIKeyHPSHAJNROYSAJB-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone (CID 110258714) is pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HPSHAJNROYSAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(18-4-1-8-21-13-18)23-10-7-16(14-23)11-15-5-6-19-17(12-15)3-2-9-22-19/h1-6,8-9,12-13,16H,7,10-11,14H2.
What are the key properties of pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110258714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).